[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methanamine

• ChemBase ID: 265100
• Molecular Formular: C14H20N2O2
• Molecular Mass: 248.3208
• Monoisotopic Mass: 248.15247789
• SMILES: N1(C(=O)c2ccc(cc2)CN)CC(OC(C1)C)C
• Canonical SMILES: NCc1ccc(cc1)C(=O)N1CC(C)OC(C1)C
• InChI: InChI=1S/C14H20N2O2/c1-10-8-16(9-11(2)18-10)14(17)13-5-3-12(7-15)4-6-13/h3-6,10-11H,7-9,15H2,1-2H3
• InChIKey: ZYZSDPIYLJWATM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methanamine
• IUPAC Traditional name: [4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methanamine
• Synonyms: {4-[(2,6-dimethylmorpholin-4-yl)carbonyl]phenyl}methanamine

Database IDs

• MDL Number: MFCD08444571
• PubChem SID: 164321010
• PubChem CID: 16228054

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.9631265
• LogD (pH = 7.4): -0.93151355
• Log P: 1.0116563
• Molar Refractivity: 71.3153 cm^3
• Polarizability: 27.53405 Å^3
• Polar Surface Area: 55.56 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.762

Product Information

• Purity: 95%